2-[2-(1,3-benzodioxol-5-yl)ethyl]guanidine sulfate

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]guanidine sulfate Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]guanidine sulfate CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]guanidine sulfate IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]guanidine sulfate Traditional Name: 2-homopiperonylguanidine sulfate Formula: C20H26N6O8S-2 MolecularWeight: 510.52084

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCN=C(N)N.C1OC2=C(O1)C=C(C=C2)CCN=C(N)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCN=C(N)N.C1OC2=C(O1)C=C(C=C2)CCN=C(N)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C10H13N3O2.H2O4S/c2*11-10(12)13-4-3-7-1-2-8-9(5-7)15-6-14-8;1-5(2,3)4/h2*1-2,5H,3-4,6H2,(H4,11,12,13);(H2,1,2,3,4)/p-2